CID 5283437

166100-39-6

Structural Information

Molecular Formula
C23H38FNO
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)NCCF
InChI
InChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7-,11-10-,14-13-,17-16-
InChIKey
HMMNZALKMVCHHZ-ZKWNWVNESA-N
Compound name
(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

5
Patents

363.29373 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.30101 199.7
[M+Na]+ 386.28295 200.4
[M-H]- 362.28645 195.7
[M+NH4]+ 381.32755 212.0
[M+K]+ 402.25689 193.6
[M+H-H2O]+ 346.29099 191.2
[M+HCOO]- 408.29193 217.1
[M+CH3COO]- 422.30758 221.8
[M+Na-2H]- 384.26840 194.9
[M]+ 363.29318 201.6
[M]- 363.29428 201.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe